4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide

C18H18N4O3 — CID 54676093

IUPAC4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2ncccn2)c(O)c2ccccc21
InChIInChI=1S/C18H18N4O3/c1-11(2)10-22-13-7-4-3-6-12(13)15(23)14(17(22)25)16(24)21-18-19-8-5-9-20-18/h3-9,11,23H,10H2,1-2H3,(H,19,20,21,24)
InChIKeyMHTXWDHHABQYKA-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.41
Rot. Bonds4

About 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide

4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide (PubChem CID 54676093) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
PubChem CID54676093
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
SMILESCC(C)Cn1c(=O)c(C(=O)Nc2ncccn2)c(O)c2ccccc21
InChIInChI=1S/C18H18N4O3/c1-11(2)10-22-13-7-4-3-6-12(13)15(23)14(17(22)25)16(24)21-18-19-8-5-9-20-18/h3-9,11,23H,10H2,1-2H3,(H,19,20,21,24)
InChIKeyMHTXWDHHABQYKA-UHFFFAOYSA-N
XLogP2.41
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 54676097
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 54695771
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
CID 54676686
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54679607
N-(1H-benzimidazol-2-yl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54676151
7-bromo-4-hydroxy-1-(2-methylpropyl)-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 166859992
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)phenyl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 163988927
4-hydroxy-2-oxo-1-propan-2-yl-N-pyridin-2-ylquinoline-3-carboxamide
CID 56606321
4-hydroxy-1-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)-2-oxoquinoline-3-carboxamide
CID 166860255
N-[3-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 166860092
CID 174078375
CID 174078375
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 54676094

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide (CID 54676093) is 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide is CC(C)Cn1c(=O)c(C(=O)Nc2ncccn2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide?
The InChIKey is MHTXWDHHABQYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(2)10-22-13-7-4-3-6-12(13)15(23)14(17(22)25)16(24)21-18-19-8-5-9-20-18/h3-9,11,23H,10H2,1-2H3,(H,19,20,21,24).
What are the key properties of 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide?
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide is sourced from PubChem (CID 54676093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).